2-(3,4-dimethylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)ethanone Openeye Name: 1-(4-allylpiperazin-4-ium-1-yl)-2-(3,4-dimethylphenoxy)ethanone CAS Name: 2-(3,4-dimethylphenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)ethanone Traditional Name: 1-(4-allylpiperazin-4-ium-1-yl)-2-(3,4-dimethylphenoxy)ethanone Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC=C)C

InChI

InChI=1S/C17H24N2O2/c1-4-7-18-8-10-19(11-9-18)17(20)13-21-16-6-5-14(2)15(3)12-16/h4-6,12H,1,7-11,13H2,2-3H3/p+1